1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one

C26H27N3O3 — CID 162632892

About 1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one

1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 162632892) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one
• PubChem CID: 162632892
• Molecular Formula: C26H27N3O3
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.21
• IUPAC Name: 1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one
• SMILES: O=C(c1cccc(N2CCCC2=O)c1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12
• InChI: InChI=1S/C26H27N3O3/c30-23-9-4-13-29(23)19-6-3-5-18(17-19)25(31)28-14-11-26(12-15-28)24-21(10-16-32-26)20-7-1-2-8-22(20)27-24/h1-3,5-8,17,27H,4,9-16H2
• InChIKey: UMIOJPSRJYVSJW-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one?

The IUPAC name of 1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one (CID 162632892) is 1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one?

The canonical SMILES for 1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one is O=C(c1cccc(N2CCCC2=O)c1)N1CCC2(CC1)OCCc1c2[nH]c2ccccc12.

What is the InChIKey of 1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one?

The InChIKey is UMIOJPSRJYVSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c30-23-9-4-13-29(23)19-6-3-5-18(17-19)25(31)28-14-11-26(12-15-28)24-21(10-16-32-26)20-7-1-2-8-22(20)27-24/h1-3,5-8,17,27H,4,9-16H2.

What are the key properties of 1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one?

1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 429.52 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 162632892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).